KEGG   COMPOUND: C13715
Entry
C13715                      Compound                               
Name
Miltirone
Formula
C19H22O2
Exact mass
282.162
Mol weight
282.3768
Structure
Other DBs
CAS: 27210-57-7
PubChem: 586304
ChEBI: 34851
KNApSAcK: C00037506
NIKKAJI: J17.268E
LinkDB
KCF data

ATOM        21
            1   C1z C    24.4411  -20.4500
            2   C1x C    24.4475  -21.8514
            3   C1x C    25.6644  -22.5467
            4   C1x C    26.8749  -21.8404
            5   C8y C    25.6516  -19.7438
            6   C8y C    26.8663  -20.4394
            7   C8x C    26.8565  -17.6397
            8   C8x C    25.6467  -18.3439
            9   C8y C    28.0714  -18.3353
            10  C8y C    28.0703  -19.7321
            11  C5x C    29.2794  -20.4313
            12  C5x C    30.4312  -19.7538
            13  C2y C    30.4666  -18.2968
            14  C2x C    29.2576  -17.5978
            15  C1c C    31.6802  -17.5973
            16  C1a C    32.8929  -18.2986
            17  C1a C    31.6812  -16.1965
            18  O5x O    31.6783  -20.3948
            19  O5x O    29.2783  -21.8320
            20  C1a C    23.2128  -19.7483
            21  C1a C    23.2281  -21.1579
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     9  10 2
            5    10  11 1
            6    11  12 1
            7    12  13 1
            8    13  14 2
            9    14   9 1
            10    5   6 2
            11   13  15 1
            12    6  10 1
            13   15  16 1
            14    9   7 1
            15   15  17 1
            16    7   8 2
            17   12  18 2
            18    8   5 1
            19   11  19 2
            20    4   6 1
            21    5   1 1
            22    1  20 1
            23    1  21 1

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